2-(2-methylsulfanylpropan-2-yl)-1,5-naphthyridine

C12H14N2S — CID 91309497

IUPAC2-(2-methylsulfanylpropan-2-yl)-1,5-naphthyridine
SMILESCSC(C)(C)c1ccc2ncccc2n1
InChIInChI=1S/C12H14N2S/c1-12(2,15-3)11-7-6-9-10(14-11)5-4-8-13-9/h4-8H,1-3H3
InChIKeyXZGLPGCCPFPUFJ-UHFFFAOYSA-N
MW218.32 g/mol
LogP3.23
Rot. Bonds2

About 2-(2-methylsulfanylpropan-2-yl)-1,5-naphthyridine

2-(2-methylsulfanylpropan-2-yl)-1,5-naphthyridine (PubChem CID 91309497) has the molecular formula C12H14N2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 2-(2-methylsulfanylpropan-2-yl)-1,5-naphthyridine.

Molecular Properties

Compound Name2-(2-methylsulfanylpropan-2-yl)-1,5-naphthyridine
PubChem CID91309497
Molecular FormulaC12H14N2S
Molecular Weight218.32 g/mol
Exact Mass218.09
IUPAC Name2-(2-methylsulfanylpropan-2-yl)-1,5-naphthyridine
SMILESCSC(C)(C)c1ccc2ncccc2n1
InChIInChI=1S/C12H14N2S/c1-12(2,15-3)11-7-6-9-10(14-11)5-4-8-13-9/h4-8H,1-3H3
InChIKeyXZGLPGCCPFPUFJ-UHFFFAOYSA-N
XLogP3.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfanylpropan-2-yl)-1,5-naphthyridine?
The IUPAC name of 2-(2-methylsulfanylpropan-2-yl)-1,5-naphthyridine (CID 91309497) is 2-(2-methylsulfanylpropan-2-yl)-1,5-naphthyridine.
What is the SMILES notation for 2-(2-methylsulfanylpropan-2-yl)-1,5-naphthyridine?
The canonical SMILES for 2-(2-methylsulfanylpropan-2-yl)-1,5-naphthyridine is CSC(C)(C)c1ccc2ncccc2n1.
What is the InChIKey of 2-(2-methylsulfanylpropan-2-yl)-1,5-naphthyridine?
The InChIKey is XZGLPGCCPFPUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-12(2,15-3)11-7-6-9-10(14-11)5-4-8-13-9/h4-8H,1-3H3.
What are the key properties of 2-(2-methylsulfanylpropan-2-yl)-1,5-naphthyridine?
2-(2-methylsulfanylpropan-2-yl)-1,5-naphthyridine has a molecular weight of 218.32 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfanylpropan-2-yl)-1,5-naphthyridine is sourced from PubChem (CID 91309497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).